Sodium ion → HCID 86662645, compound

HRID 697217Notes

Reaction equation

HRID 697217 reaction equation
[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:13]2[cH:14][c:15](-[c:32]3[o:33][c:34]([CH2:37][N:38]4[CH2:39][CH2:40][O:41][CH2:42][CH2:43]4)[n:35][n:36]3)[c:16]3[cH:17][n:18][n:19]([S:22]([c:23]4[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]4)(=[O:30])=[O:31])[c:20]3[cH:21]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH3:12].[Na+:45].[OH-:44].[OH2:50]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:13]2[cH:14][c:15](-[c:32]3[o:33][c:34]([CH2:37][N:38]4[CH2:39][CH2:40][O:41][CH2:42][CH2:43]4)[n:35][n:36]3)[c:16]3[cH:17][n:18][nH:19][c:20]3[cH:21]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH3:12]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 86662640HCID 86662640, compound

Product 1

HCID 86662645HCID 86662645, compound

Sources & evidence

ORD record
ord-9163d4bb962b4ee5855c022954186b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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